3-methyl-4H-pyrimidine

C5H8N2 — CID 19788969

IUPAC3-methyl-4H-pyrimidine
SMILESCN1C=NC=CC1
InChIInChI=1S/C5H8N2/c1-7-4-2-3-6-5-7/h2-3,5H,4H2,1H3
InChIKeyULKORZDAAIOKRE-UHFFFAOYSA-N
MW96.13 g/mol
LogP0.47
Rot. Bonds

About 3-methyl-4H-pyrimidine

3-methyl-4H-pyrimidine (PubChem CID 19788969) has the molecular formula C5H8N2 and a molecular weight of 96.13 g/mol. Its IUPAC name is 3-methyl-4H-pyrimidine.

Molecular Properties

Compound Name3-methyl-4H-pyrimidine
PubChem CID19788969
Molecular FormulaC5H8N2
Molecular Weight96.13 g/mol
Exact Mass96.07
IUPAC Name3-methyl-4H-pyrimidine
SMILESCN1C=NC=CC1
InChIInChI=1S/C5H8N2/c1-7-4-2-3-6-5-7/h2-3,5H,4H2,1H3
InChIKeyULKORZDAAIOKRE-UHFFFAOYSA-N
XLogP0.47
TPSA15.60 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 50096.13
LogP ≤ 50.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-methyl-4H-pyrimidine?
The IUPAC name of 3-methyl-4H-pyrimidine (CID 19788969) is 3-methyl-4H-pyrimidine.
What is the SMILES notation for 3-methyl-4H-pyrimidine?
The canonical SMILES for 3-methyl-4H-pyrimidine is CN1C=NC=CC1.
What is the InChIKey of 3-methyl-4H-pyrimidine?
The InChIKey is ULKORZDAAIOKRE-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H8N2/c1-7-4-2-3-6-5-7/h2-3,5H,4H2,1H3.
What are the key properties of 3-methyl-4H-pyrimidine?
3-methyl-4H-pyrimidine has a molecular weight of 96.13 g/mol, XLogP of 0.47, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-4H-pyrimidine is sourced from PubChem (CID 19788969), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).